SCHEMBL3332096

SCHEMBL3332096

CCOC(=O)N1CCN(C(=O)[C@H](CF)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
HRH2 P25021 3/20 0.41
HRH1 P35367 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSL P07711 1/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ADORA1 P30542 1/20 0.40
P2RY12 Q9H244 1/20 0.40
KDM4E B2RXH2 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3332100 1.00 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTHRH2
SCHEMBL3331652 0.89 HRH2 (0.49) HRH2HRH1LMNAP2RY12
SCHEMBL3331648 0.89 HRH2 (0.49) HRH2HRH1LMNAP2RY12
SCHEMBL316667 0.84 CTSK (0.47) CYP1A2CYP2C9CYP2C19HTTHRH2
SCHEMBL952834 0.84 SMN1; SMN2 (0.47) CYP1A2CYP2C9CYP2C19HTTHRH2
SCHEMBL952832 0.84 SMN1; SMN2 (0.47) CYP1A2CYP2C9CYP2C19HTTHRH2
SCHEMBL316668 0.84 CTSK (0.47) CYP1A2CYP2C9CYP2C19HTTHRH2
SCHEMBL2585308 0.83 P2RY12 (0.50) CYP1A2CYP2C9CYP2C19HTTTSHR
SCHEMBL2585311 0.83 P2RY12 (0.50) CYP1A2CYP2C9CYP2C19HTTTSHR
SCHEMBL1111134 0.82 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTHRH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 CYP1A2 1343/4885CYP2C9 1380/4885CYP2C19 685/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.